Nom: (2S)-2-[[2-(acetylsulfanylmethyl)-5-aminopentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid;2,2,2-trifluoroacetic acid

SMILES: CC(=O)SCC(CCCN)C(=O)NC(CCCN=C(N)N)C(=O)O.C(=O)(C(F)(F)F)O

Molecular Processing

Molecular formula

C16H28F3N5O6S

Molecular weight

475.49

Exact mass

475.1712

XLogP

-0.12

TPSA

211.19

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.688

Molar refractivity

108.09

Supplementary Information

InChIKey: RMSCRKHPTVVLNZ-GQNCZFCYSA-N

Synonymes

RMSCRKHPTVVLNZ-GQNCZFCYSA-NNalpha -(2-acetylthiomethyl-5-aminopentanoyl)-L-arginine trifluoroacetate